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Hydrochloric Acid → 5-[4-[[4-[[4-(2-Diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylic acid

HRID 159808
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인쇄 미리보기

반응식

HRID 159808 반응식
[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([O:6][CH2:7][CH3:8])[CH:9]=[CH:10][c:11]1[c:12]([O:22][CH2:23][c:24]2[cH:25][c:26]([O:48][CH3:49])[c:27]([O:28][CH2:29][c:30]3[n:31][c:32](-[c:36]4[cH:37][cH:38][c:39]([C:41](=[O:42])[O:43][CH2:44][CH3:45])[s:40]4)[o:33][c:34]3[CH3:35])[cH:46][cH:47]2)[n:13][n:14](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:15]1.[CH3:59][CH2:60][OH:61].[ClH:57].[Na+:56].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH-:55].[OH2:58]>>[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([O:6][CH2:7][CH3:8])[CH:9]=[CH:10][c:11]1[c:12]([O:22][CH2:23][c:24]2[cH:25][c:26]([O:48][CH3:49])[c:27]([O:28][CH2:29][c:30]3[n:31][c:32](-[c:36]4[cH:37][cH:38][c:39]([C:41](=[O:42])[OH:43])[s:40]4)[o:33][c:34]3[CH3:35])[cH:46][cH:47]2)[n:13][n:14](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 90964065Ethyl 5-[4-[[4-[[4-(2-diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylate

생성물 1

HCID 910033015-[4-[[4-[[4-(2-Diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]thiophene-2-carboxylic acid

출처 및 근거

ORD 기록
ord-66c2135524a24836b29a5e9e9e43ea5d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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